Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | SCARB1 | Q8WTV0 | 1/20 | 0.31 |
| ▸ | CCR1 | P32246 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4417495 | 0.88 | KDM1A (0.34) | KDM1ASIGMAR1 | |
| SCHEMBL4416943 | 0.83 | SLC6A4 (0.38) | SIGMAR1ALDH1A1CCR1ATMGRIN2D | |
| SCHEMBL4427952 | 0.80 | HSD11B1 (0.40) | KMT2AMEN1ALDH1A1TSHROPRM1 | |
| SCHEMBL4427087 | 0.78 | SIGMAR1 (0.35) | SIGMAR1KMT2AMEN1ALDH1A1TP53 | |
| SCHEMBL2792770 | 0.74 | OPRL1 (0.49) | KDM1ASIGMAR1KMT2AMEN1ALDH1A1 | |
| SCHEMBL2794344 | 0.73 | KDM1A (0.45) | KDM1ASIGMAR1KMT2AMEN1ALDH1A1 | |
| SCHEMBL4419615 | 0.73 | OPRD1 (0.39) | OPRM1 | |
| SCHEMBL4418076 | 0.72 | ALDH1A1 (0.39) | KMT2AMEN1ALDH1A1TSHR | |
| SCHEMBL2792105 | 0.69 | CACNA2D1 (0.45) | — | |
| SCHEMBL4413321 | 0.69 | HSD11B1 (0.37) | KMT2AMEN1ALDH1A1TSHROPRM1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2061780-A1 | DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS | Neuromed Pharmaceuticals, Ltd. (CA) | 2009-05-27 | — | — | EP | disclosed |
| WO-2008031227-A1 | DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS | NEUROMED PHARMACEUTICALS LTD. (CA) | 2008-03-20 | — | — | WO | disclosed |